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Hydrochloric Acid → 1-(4-Methylphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine

HRID 1136527
Notes
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Reaction equation

HRID 1136527 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[CH:8]([CH2:9][C:10]([OH:11])=[O:12])[O:13][CH2:14][CH2:15]2.[CH3:45][c:46]1[cH:47][cH:48][c:49]([N:52]2[CH2:53][CH2:54][N:55]([C:58]([CH2:59][CH:60]3[O:61][CH2:62][CH2:63][c:64]4[cH:65][c:66]([Br:70])[cH:67][cH:68][c:69]43)=[O:71])[CH2:56][CH2:57]2)[cH:50][cH:51]1.[CH:19]1([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][N:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][CH3:33])[CH2:34][CH2:35]2)[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[CH2:42][CH2:43][O:44]1.[ClH:17].[ClH:18].[OH2:16]>>[CH3:45][c:46]1[cH:47][cH:48][c:49]([N:52]2[CH2:53][CH2:54][N:55]([CH2:58][CH2:59][CH:60]3[O:61][CH2:62][CH2:63][c:64]4[cH:65][c:66]([Br:70])[cH:67][cH:68][c:69]43)[CH2:56][CH2:57]2)[cH:50][cH:51]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 10540012(6-Bromoisochroman-1-yl)acetic acidHCID 232889521-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(2-methoxyphenyl)piperazineHCID 538723191-(4-Methylphenyl)-4-[2-(6-bromoisochroman-1-yl)]acetyl piperazine

Product 1

HCID 23288916
1-(4-Methylphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine

Sources & evidence

ORD record
ord-d5664a93a45f4f4cb12a7e3eef6c63b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes